SCHEMBL5827740

SCHEMBL5827740

[CH2]C(CC)C(O)CC

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL475372 0.79
SCHEMBL3162930 0.79
SCHEMBL27861473 0.79
SCHEMBL28793693 0.79
SCHEMBL27675719 0.76
SCHEMBL38029 0.76
SCHEMBL6681566 0.75 SPHK1 (0.41)
SCHEMBL6728521 0.73
SCHEMBL3747066 0.73
SCHEMBL10076291 0.73

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1454921-B1 RADICAL POLYMERIZATION CATALYSTS AND ADHESIVE KIT FOR DENTAL USE TOKUYAMA CORP (JP) 2021-07-28 EP disclosed
EP-1459726-B1 ADHESIVES FOR DENTAL USE TOKUYAMA CORP (JP) 2013-10-02 EP disclosed
US-7041714-B2 Dental adhesive TOKUYAMA CORPORATION (JP) 2006-05-09 US disclosed
US-20050009946-A1 Radical polymerization catalyst and adhesive kit for dental use TOKUYAMA CORPORATION (JP) 2005-01-13 US disclosed
EP-1459726-A1 ADHESIVES FOR DENTAL USE TOKUYAMA CORPORATION (JP) 2004-09-22 EP disclosed
EP-1454921-A1 RADICAL POLYMERIZATION CATALYSTS AND ADHESIVE KIT FOR DENTAL USE Tokuyama Corporation (JP) 2004-09-08 EP disclosed
US-20040077746-A1 Adhesives for dental use TOKUYAMA CORPORATION (JP) 2004-04-22 US disclosed